Geometry & MOs

Info

ID:	196873
PubChem CID:	78889150
Reduced:	NO3H17C20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	323.99972
ΔH_f, kcal/mol:	-36.18
Dipole, Da:	3.51
IP(EA), eV:	-9.27(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxy-4-methylphenyl) 5-bromo-3-methylfuran-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)OCC3=CN=CC=C3

DOS

IR

Vibrations